ethoxy(ethyl)phosphinic acid

C4H11O3P — CID 23731

IUPACethoxy(ethyl)phosphinic acid
SMILESCCOP(=O)(O)CC
InChIInChI=1S/C4H11O3P/c1-3-7-8(5,6)4-2/h3-4H2,1-2H3,(H,5,6)
InChIKeyYJCXKNNURGCXFQ-UHFFFAOYSA-N
MW138.10 g/mol
LogP1.23
Rot. Bonds3

About ethoxy(ethyl)phosphinic acid

ethoxy(ethyl)phosphinic acid (PubChem CID 23731) has the molecular formula C4H11O3P and a molecular weight of 138.10 g/mol. Its IUPAC name is ethoxy(ethyl)phosphinic acid.

Molecular Properties

Compound Nameethoxy(ethyl)phosphinic acid
PubChem CID23731
Molecular FormulaC4H11O3P
Molecular Weight138.10 g/mol
Exact Mass138.04
IUPAC Nameethoxy(ethyl)phosphinic acid
SMILESCCOP(=O)(O)CC
InChIInChI=1S/C4H11O3P/c1-3-7-8(5,6)4-2/h3-4H2,1-2H3,(H,5,6)
InChIKeyYJCXKNNURGCXFQ-UHFFFAOYSA-N
XLogP1.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.10
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethoxy(ethyl)phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl phosphate
CID 654
Diethyl hydrogen phosphite
CID 6327654
Ethyl methylphosphonate
CID 449085
Diethyl ethylphosphonate
CID 6534
Diethyl methylphosphonate
CID 12685
Diethyl (2-hydroxyethyl)phosphonate
CID 312225
Ethyl methyl ethylphosphonate
CID 79183
Phosphonic acid, propyl-, methyl ester
CID 3041195
O-Ethyl hydrogen P-ethylphosphonothioate
CID 197878
Ethyl methylphosphinate
CID 6328184
Butyl methylphosphonate
CID 12459492
Diethyl propylphosphonate
CID 140428

Frequently Asked Questions

What is the IUPAC name of ethoxy(ethyl)phosphinic acid?
The IUPAC name of ethoxy(ethyl)phosphinic acid (CID 23731) is ethoxy(ethyl)phosphinic acid.
What is the SMILES notation for ethoxy(ethyl)phosphinic acid?
The canonical SMILES for ethoxy(ethyl)phosphinic acid is CCOP(=O)(O)CC.
What is the InChIKey of ethoxy(ethyl)phosphinic acid?
The InChIKey is YJCXKNNURGCXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O3P/c1-3-7-8(5,6)4-2/h3-4H2,1-2H3,(H,5,6).
What are the key properties of ethoxy(ethyl)phosphinic acid?
ethoxy(ethyl)phosphinic acid has a molecular weight of 138.10 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(ethyl)phosphinic acid is sourced from PubChem (CID 23731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).